| SpectraBase Spectrum ID |
7Sg3PD0oaPh |
| Name |
N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-{[4-methyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
396.125611691 u |
| Formula |
C20H20N4O3S |
| InChI |
InChI=1S/C20H20N4O3S/c1-13-3-5-14(6-4-13)19-22-23-20(24(19)2)28-12-18(25)21-15-7-8-16-17(11-15)27-10-9-26-16/h3-8,11H,9-10,12H2,1-2H3,(H,21,25) |
| InChIKey |
YCTJJHAQDLQNRF-UHFFFAOYSA-N |
| Molecular Weight |
396.465 g/mol |
| SMILES |
N(C(CSC=1N(C(=NN1)C=1C=CC(=CC1)C)C)=O)C1=CC=2OCCOC2C=C1 |
![N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[4-methyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide](/api/spectrum/7Sg3PD0oaPh/structure.png?h=300&w=458 "N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[4-methyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide")
